Daniel Adrion
Northeastern University
7 Papers
10 Citations
Daniel Adrion is an academic researcher from Northeastern University. The author has contributed to research in topics: Chemistry & Stereocenter. The author has an hindex of 1, co-authored 5 publications.
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Papers
Efficient Discovery of Visible Light-Activated Azoarene Photoswitches with Long Half-Lives Using Active Search.
Fatemah Mukadum,Quan Nguyen,Daniel Adrion,Gabriel Appleby,Rui Chen,Haley Dang,Remco Chang,Roman Garnett,Steven A. Lopez +8 more
TL;DR: In this article, the authors applied active search, a machine-learning technique, to intelligently search a chemical search space of 255 991 photoswitches based on 29 known azoarenes and their derivatives.
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Benchmarking of Density Functionals for Z-Azoarene Half-Lives via Automated Transition State Search.
TL;DR: In this article, the authors used 28 density functionals (local spin density approximation, generalized gradient approximation, meta-GGA, hybrid GGA, and hybrid meta GGA) to predict the thermal Z → E isomerization.
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Efficient discovery of visible light-activated azoarene photoswitches with long half-livesusing active search
Fatemah Mukadum,Quan Nguyen,Daniel Adrion,Gabriel Appleby,Rui Chen,Haley Dang,Remco Chang,Roman Garnett,Steven A. Lopez +8 more
TL;DR: In this paper, the authors applied active search, a machine learning technique to intelligently search a chemical search space of 255991 photoswitches based on 29 known azoarenes and their derivatives.
Multiconfigurational photodynamics simulations reveal the mechanism of photodecarbonylations of cyclopropenones in explicit aqueous environments
TL;DR: Multiconfigurational simulations reveal the mechanism of photodecarbonylations of cyclopropenones in explicit aqueous environments. Photochemical reactions are used to access strained organic compounds.
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